6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole

C87H57BrN4O2 — CID 143952812

IUPAC6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole
SMILESBrc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc2c1
InChIInChI=1S/C44H30N2O.C43H27BrN2O/c1-29-18-27-40-43(28-29)47-44(45-40)32-21-19-30(20-22-32)34-10-2-4-12-36(34)37-13-5-3-11-35(37)31-23-25-33(26-24-31)46-41-16-8-6-14-38(41)39-15-7-9-17-42(39)46;44-31-23-26-39-42(27-31)47-43(45-39)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h2-28H,1H3;1-27H
InChIKeySBYPDQUIRCTPTE-UHFFFAOYSA-N
MW1270.34 g/mol
LogP24.26
Rot. Bonds10

About 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole

6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole (PubChem CID 143952812) has the molecular formula C87H57BrN4O2 and a molecular weight of 1270.34 g/mol. Its IUPAC name is 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole
PubChem CID143952812
Molecular FormulaC87H57BrN4O2
Molecular Weight1270.34 g/mol
Exact Mass1268.37
IUPAC Name6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole
SMILESBrc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc2c1
InChIInChI=1S/C44H30N2O.C43H27BrN2O/c1-29-18-27-40-43(28-29)47-44(45-40)32-21-19-30(20-22-32)34-10-2-4-12-36(34)37-13-5-3-11-35(37)31-23-25-33(26-24-31)46-41-16-8-6-14-38(41)39-15-7-9-17-42(39)46;44-31-23-26-39-42(27-31)47-43(45-39)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h2-28H,1H3;1-27H
InChIKeySBYPDQUIRCTPTE-UHFFFAOYSA-N
XLogP24.26
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.34
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole?
The IUPAC name of 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole (CID 143952812) is 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole?
The canonical SMILES for 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole is Brc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc2c1.
What is the InChIKey of 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole?
The InChIKey is SBYPDQUIRCTPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O.C43H27BrN2O/c1-29-18-27-40-43(28-29)47-44(45-40)32-21-19-30(20-22-32)34-10-2-4-12-36(34)37-13-5-3-11-35(37)31-23-25-33(26-24-31)46-41-16-8-6-14-38(41)39-15-7-9-17-42(39)46;44-31-23-26-39-42(27-31)47-43(45-39)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h2-28H,1H3;1-27H.
What are the key properties of 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole?
6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole has a molecular weight of 1270.34 g/mol, XLogP of 24.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 143952812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).